Xue Y - Search Results

1

Viscosity, Conductivity, and Electrochemical Property of Dicyanamide Ionic Liquids.

Yuan WL, Yang X, He L, Xue Y, Qin S, Tao GH. Yuan WL, et al. Among authors: xue y. Front Chem. 2018 Mar 15;6:59. doi: 10.3389/fchem.2018.00059. eCollection 2018. Front Chem. 2018. PMID: 29600245 Free PMC article.

2

Catalyst-Dependent Chemoselectivity in the Dirhodium-Catalyzed Cyclization Reactions Between Enodiazoacetamide and Nitrosoarene: A Theoretical Study.

Zhang Y, Yang Y, Zhu R, Wang X, Xue Y. Zhang Y, et al. Among authors: xue y. Front Chem. 2019 Aug 23;7:586. doi: 10.3389/fchem.2019.00586. eCollection 2019. Front Chem. 2019. PMID: 31508409 Free PMC article.

3

Super impact stable TATB explosives recrystallized by bicarbonate ionic liquids with a record solubility.

Yuan WL, Tao GH, Zhang L, Zhang Z, Xue Y, He L, Huang J, Yu W. Yuan WL, et al. Among authors: xue y. Sci Rep. 2020 Mar 11;10(1):4477. doi: 10.1038/s41598-020-61470-9. Sci Rep. 2020. PMID: 32161293 Free PMC article.

4

Designing high-performance hypergolic propellants based on materials genome.

Yuan WL, Zhang L, Tao GH, Wang SL, Wang Y, Zhu QH, Zhang GH, Zhang Z, Xue Y, Qin S, He L, Shreeve JM. Yuan WL, et al. Among authors: xue y. Sci Adv. 2020 Dec 4;6(49):eabb1899. doi: 10.1126/sciadv.abb1899. Print 2020 Dec. Sci Adv. 2020. PMID: 33277244 Free PMC article.

5

Computational Mechanism Study on Allylic Oxidation of cis-Internal Alkenes: Insight into the Lewis Acid-Assisted Brønsted Acid (LBA) Catalysis in Heteroene Reactions.

Yang Y, Yang X, Zhang Y, Xue Y. Yang Y, et al. Among authors: xue y. J Org Chem. 2018 Nov 2;83(21):13344-13355. doi: 10.1021/acs.joc.8b02130. Epub 2018 Oct 12. J Org Chem. 2018. PMID: 30277766

6

A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2,3-dihydroxypyridine.

Yan W, Xue Y, Zhu H, Zeng J, Xie D. Yan W, et al. Among authors: xue y. J Comput Chem. 2004 Nov 30;25(15):1833-9. doi: 10.1002/jcc.20123. J Comput Chem. 2004. PMID: 15389746

7

DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water.

Xue Y, Kim CK, Guo Y, Xie DQ, Yan GS. Xue Y, et al. J Comput Chem. 2005 Jul 30;26(10):994-1005. doi: 10.1002/jcc.20243. J Comput Chem. 2005. PMID: 15880803

8

Modeling of hydrogen bonds in monohydrated 2,4-dithiothymine: an ab initio and AIM study.

He W, Xue Y, Zhang H, Tian A, Wong NB. He W, et al. Among authors: xue y. J Phys Chem B. 2006 Jan 26;110(3):1416-22. doi: 10.1021/jp053328t. J Phys Chem B. 2006. PMID: 16471692

9

Ab initio potential energy surface and predicted microwave spectra for Ar--OCS dimer and structures of Arn--OCS (n = 2-14) clusters.

Zhu H, Guo Y, Xue Y, Xie D. Zhu H, et al. Among authors: xue y. J Comput Chem. 2006 Jul 15;27(9):1045-53. doi: 10.1002/jcc.20421. J Comput Chem. 2006. PMID: 16639699

10

Theoretical studies on the hydrolysis mechanism of N-(2-oxo-1,2-dihydro-pyrimidinyl) formamide.

Wu Y, Xue Y, Xie DQ, Kim CK, Yan GS. Wu Y, et al. Among authors: xue y. J Phys Chem B. 2007 Mar 8;111(9):2357-64. doi: 10.1021/jp064510c. Epub 2007 Feb 13. J Phys Chem B. 2007. PMID: 17295531

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